Low-Lying Potential Energy Surfaces

Erscheinungsjahr 2002
ISBN: 978-0-8412-3792-6
Verlag: American Chemical Society

Buch, Englisch, Band No. 828, 488 Seiten, Format (B × H): 156 mm x 237 mm, Gewicht: 769 g

Reihe: ACS Symposium Series

This volume examines the requirements for a well-balanced description of energetically low-lying potential energy surfaces and the phenomena that occur on them. The theoretical aspects of the volume differ from traditional theoretical symposia by focusing on multiple surfaces and regions of potential energy surfaces away from stationary points. It examines the theory and application of multi-reference and multiple surface techniques. Critical comparisons of state of the art calculations with relevant experiments are included.

This volume examines the requirements for a well-balanced description of energetically low-lying potential energy surfaces and the phenomena that occur on them. The theoretical aspects of the volume differ from traditional theoretical symposia by focusing on multiple surfaces and regions of potential energy surfaces away from stationary points. It examines the theory and application of multi-reference and multiple surface techniques. Critical comparisons of state of the art calculations with relevant experiments are included.

Autoren/Hrsg.

Hoffmann, Mark R.

Dyall, Kenneth G.

Fachgebiete

• Naturwissenschaften Chemie Physikalische Chemie Molekulare Chemische Nanostrukturen